4-[amino(methoxy)methyl]-N-(3,3,3-trifluoropropyl)benzamide

C12H15F3N2O2 — CID 144595499

IUPAC4-[amino(methoxy)methyl]-N-(3,3,3-trifluoropropyl)benzamide
SMILESCOC(N)c1ccc(C(=O)NCCC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O2/c1-19-10(16)8-2-4-9(5-3-8)11(18)17-7-6-12(13,14)15/h2-5,10H,6-7,16H2,1H3,(H,17,18)
InChIKeyBHPBCHFTTKYKPK-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.97
Rot. Bonds5

About 4-[amino(methoxy)methyl]-N-(3,3,3-trifluoropropyl)benzamide

4-[amino(methoxy)methyl]-N-(3,3,3-trifluoropropyl)benzamide (PubChem CID 144595499) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 4-[amino(methoxy)methyl]-N-(3,3,3-trifluoropropyl)benzamide.

Molecular Properties

Compound Name4-[amino(methoxy)methyl]-N-(3,3,3-trifluoropropyl)benzamide
PubChem CID144595499
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name4-[amino(methoxy)methyl]-N-(3,3,3-trifluoropropyl)benzamide
SMILESCOC(N)c1ccc(C(=O)NCCC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O2/c1-19-10(16)8-2-4-9(5-3-8)11(18)17-7-6-12(13,14)15/h2-5,10H,6-7,16H2,1H3,(H,17,18)
InChIKeyBHPBCHFTTKYKPK-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[amino(methoxy)methyl]-N-(3,3,3-trifluoropropyl)benzamide?
The IUPAC name of 4-[amino(methoxy)methyl]-N-(3,3,3-trifluoropropyl)benzamide (CID 144595499) is 4-[amino(methoxy)methyl]-N-(3,3,3-trifluoropropyl)benzamide.
What is the SMILES notation for 4-[amino(methoxy)methyl]-N-(3,3,3-trifluoropropyl)benzamide?
The canonical SMILES for 4-[amino(methoxy)methyl]-N-(3,3,3-trifluoropropyl)benzamide is COC(N)c1ccc(C(=O)NCCC(F)(F)F)cc1.
What is the InChIKey of 4-[amino(methoxy)methyl]-N-(3,3,3-trifluoropropyl)benzamide?
The InChIKey is BHPBCHFTTKYKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-19-10(16)8-2-4-9(5-3-8)11(18)17-7-6-12(13,14)15/h2-5,10H,6-7,16H2,1H3,(H,17,18).
What are the key properties of 4-[amino(methoxy)methyl]-N-(3,3,3-trifluoropropyl)benzamide?
4-[amino(methoxy)methyl]-N-(3,3,3-trifluoropropyl)benzamide has a molecular weight of 276.26 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(methoxy)methyl]-N-(3,3,3-trifluoropropyl)benzamide is sourced from PubChem (CID 144595499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).